CID 11820922

Schembl5884547

Structural Information

Molecular Formula
C21H26N4O3
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C=O
InChI
InChI=1S/C21H26N4O3/c1-2-28-22-15-18-3-6-20(7-4-18)27-14-11-17-9-12-25(13-10-17)21-8-5-19(16-26)23-24-21/h3-8,15-17H,2,9-14H2,1H3/b22-15+
InChIKey
VXYRNGDPMFEWPC-PXLXIMEGSA-N
Compound name
6-[4-[2-[4-[(E)-ethoxyiminomethyl]phenoxy]ethyl]piperidin-1-yl]pyridazine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

382.2005 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20778 193.7
[M+Na]+ 405.18972 197.8
[M-H]- 381.19322 199.1
[M+NH4]+ 400.23432 200.7
[M+K]+ 421.16366 192.9
[M+H-H2O]+ 365.19776 180.4
[M+HCOO]- 427.19870 211.9
[M+CH3COO]- 441.21435 222.8
[M+Na-2H]- 403.17517 196.4
[M]+ 382.19995 194.4
[M]- 382.20105 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe